2,6-dichloro-4-methylquinoline

• ChemBase ID: 58913
• Molecular Formular: C10H7Cl2N
• Molecular Mass: 212.07528
• Monoisotopic Mass: 210.99555459
• SMILES: c1(ccc2c(c1)c(cc(n2)Cl)C)Cl
• Canonical SMILES: Clc1ccc2c(c1)c(C)cc(n2)Cl
• InChI: InChI=1S/C10H7Cl2N/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5H,1H3
• InChIKey: ZNZUDUAJLJNTLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-methylquinoline
• IUPAC Traditional name: 2,6-dichloro-4-methylquinoline
• Synonyms: 2,6-Dichloro-4-methylquinoline

Database IDs

• CAS Number: 90723-71-0
• MDL Number: MFCD01316208
• PubChem SID: 162063676
• PubChem CID: 782124

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0725846
• LogD (pH = 7.4): 4.0725884
• Log P: 4.0725884
• Molar Refractivity: 55.6914 cm^3
• Polarizability: 22.48818 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%